SCHEMBL9407498

SCHEMBL9407498

O=C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)NCCNc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.59
▸ FFAR1 O14842 1/20 0.58
▸ AKR1B1 P15121 1/20 0.58
▸ CYSLTR1 Q9Y271 8/20 0.58
▸ GPBAR1 Q8TDU6 1/20 0.57
▸ CYSLTR2 Q9NS75 5/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9407515 0.85 GPBAR1 (0.65) FFAR1AKR1B1CYSLTR1GPBAR1CYSLTR2
SCHEMBL1419872 0.81 FFAR1 (0.77) ALOX5FFAR1AKR1B1CYSLTR1GPBAR1
SCHEMBL9407580 0.78 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9407541 0.78 ALOX5 (0.55) ALOX5FFAR1AKR1B1CYSLTR1GPBAR1
SCHEMBL8800199 0.78 ALOX5 (0.72) ALOX5FFAR1AKR1B1CYSLTR1GPBAR1
SCHEMBL13772730 0.78 GPBAR1 (0.70) ALOX5FFAR1AKR1B1CYSLTR1GPBAR1
SCHEMBL1419915 0.77 ALOX5 (0.72) ALOX5FFAR1AKR1B1CYSLTR1GPBAR1
SCHEMBL8902567 0.77 ALOX5 (0.72) ALOX5FFAR1AKR1B1CYSLTR1GPBAR1
SCHEMBL13772715 0.75 GPBAR1 (0.74) ALOX5FFAR1AKR1B1CYSLTR1GPBAR1
Acetic Acid SCHEMBL9525259 0.75 GPBAR1 (0.67) ALOX5FFAR1AKR1B1CYSLTR1GPBAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610943-A1 Pyridinium derivatives useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1994-08-17 — — EP disclosed
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